Theoretical, Numerical and Experimental Studies on Clean Energy and Combustion

This work presents a state-of-the-art review of micro-combustion flame dynamics and micro propulsion systems. In the initial section, we focus in on the different challenges of micro-combustion, investigating the typical length and time scales involved in micro-combustion and some critical phenomena such as flammability limits and the quenching diameter.We present an extensive collection of studies on the principal types of micro-flame dynamics, including flashback, blow-off, steady versus non-steady flames, mild combustion, stable flames, flames with repetitive extinction, and ignition and pulsatory flame burst. In the final part of this review, we focus on micropropulsion systems, their performance metrics, conventional manufacturing methods, and the advancements in Micro-Electro-Mechanical Systems manufacturing. Full article

The oxidation of complex hydrocarbons is a computationally expensive process involving detailed mechanisms with hundreds of chemical species and thousands of reactions. For low-temperature oxidation, an accurate account of the fuel-specific species is required to correctly describe the pyrolysis stage of oxidation. In this study, we develop a hybrid chemistry framework to model and accelerate the low-temperature oxidation of complex hydrocarbon fuels. The framework is based on a selection of representative species that capture the different stages of ignition, heat release, and final products. These species are selected using a two-step principal component analysis of the reaction rates of simulation data. Artificial neural networks (ANNs) are used to model the source terms of the representative species during the pyrolysis stage up to the transition time. This ANN-based model is coupled with C₀–C₄ foundational chemistry, which is used to model the remaining species up to the transition time and all species beyond the transition time. Coupled with the USC II mechanism as foundational chemistry, this framework is demonstrated using simple reactor homogeneous chemistry and perfectly stirred reactor (PSR) calculations for n-heptane oxidation over a range of composition and thermodynamic conditions. The hybrid chemistry framework accurately captures correct physical behavior and reproduces the results obtained using detailed chemistry at a fraction of the computational cost. Full article

This study theoretically explored the effects of parameter settings on thermoacoustic oscillations with a low-order model. Three factors were explored—combustor length, inlet gas temperature and thermal power. The research findings indicate that optimizing the parameter settings can yield better thermoacoustic oscillation suppression results. The sound pressure amplitude decreased from 3.2 × 10⁵ Pa to 2.1 × 10⁵ Pa as the combustor length increased from 1.2 m to 6.0 m. The triggering time increased from 0.32 s to 0.91 s when the combustion chamber length increased. The climb rate declined from 23.38 × 10⁵ Pa/s to 3.75 × 10⁵ Pa/s when the combustor length was elongated. The sound pressure amplitude decreased from 3.44 × 10⁵ Pa to 2.4 × 10⁵ Pa as the gas temperature rose from 0 to 100 °C. The triggering time and climb rate variation tendency were similar when the gas temperature increased—both declined as the gas temperature rose. The sound pressure amplitude experienced a slight fluctuation when the thermal power rose. However, the triggering time decreased from 0.26 s to 0.043 s when the thermal power improved. The climb rate increased from 18.72 × 10⁵ Pa/s to 27.65 × 10⁵ Pa/s when the thermal power rose. The oscillation frequency presented was completely different in three cases that had different wavelengths and oscillation intensities. The triggering time and climb rate fluctuated extensively in varying conditions, and the above two factors were interrelated and contradictory to each other when thermoacoustic oscillation was excited. This study explored parameters’ effects on triggering time and climb rate, thereby providing references for constructing a model-based control system for thermoacoustic oscillation feedback control. Full article

Biomass syngas can be considered as a supplementary fuel to partially substitute coal, which is beneficial to CO₂ emission reduction. For the case study, the influences of co-firing typical biomass syngas (gasification from palm, straw, and wood) with coal on the thermodynamic parameters of a 300 MW tangentially fired boiler are evaluated through a thermal calculation based on the principles of mass conservation, heat conservation, and heat transfer. The effects of boiler loads, biomass syngas species, and consumption rates are discussed. The results show that the introduction of biomass syngas weakens the radiative characteristics of the flame and reduces the furnace exit flue-gas temperature. As 3 × 10⁴ m³ h⁻¹ of wood syngas is introduced, the decrement of thermal efficiency reaches 0.4%, while that of the coal consumption rate is 5.1%. The retrofitting of the boiler was not necessary and the corrosion of the low-temperature heating surface did not appear. The CO₂ annual emission reduction could achieve 0.001 to 0.095 million tons for palm syngas, 0.005 to 0.069 million tons for straw syngas, and 0.013 to 0.107 million tons for wood syngas with increasing biomass syngas consumption rates under the full load. Moreover, the main thermodynamic parameters changed more significantly under the low loads. Full article

Ammonia is a promising carbon-free fuel. However, one of the main challenges for ammonia combustion is the high level of $\mathrm{NO}$ emissions. In this study, simulations were conducted for ammonia/air laminar counterflow flames and turbulent non-premixed jet flames in the KAUST high-pressure combustion duct (HPCD) at a pressure of 5 bar, with two ammonia cracking ratios of 14% and 28%. The influence of ammonia cracking ratio on the flame structure and $\mathrm{NO}$ formation mechanism were examined. The laminar counterflow flame results showed that $\mathrm{HNO}$ is one of the most critical species related to $\mathrm{NO}$ formation and $\mathrm{NO}$ is mainly generated through the path of ${\mathrm{NH}}_2\to \mathrm{NH}\to \mathrm{HNO}\to \mathrm{NO}$. For the turbulent flames, the flamelet/progress variable (FPV) approach was employed in the context of large eddy simulations (LES) for high-fidelity simulations. The simulation results were compared with the measured data with promising agreements, which proves the accuracy of the FPV method for the present flames. It was shown that with increasing cracking ratio, not only the flame reactivity is enhanced, but also the generation of $\mathrm{NO}$ is increased. The correlation between $\mathrm{NO}$ and $\mathrm{HNO}$ is weaker when compared to that between $\mathrm{NO}$ and radicals such as $\mathrm{O}$, $\mathrm{H}$ and $\mathrm{OH}$ in the entire flame. Through the distribution of $\mathrm{NO}$ source terms, it was found that the $\mathrm{NO}$ source term has a higher absolute value in the upstream region and the absolute value rapidly decreases with increasing streamwise distance. The total $\mathrm{NO}$ source term is positive in the fuel-lean zone and shows negative values in the fuel-rich zone. Full article

Understanding and improving the performance of miniature devices powered by micro-combustion have been the focus of continued attention of researchers recently. The goal of the present work is to investigate the behavior of premixed methane–air combustion in a quartz microreactor with an externally controlled wall temperature. Specifically, the impacts of the flow inlet velocity, the equivalence ratio, and the microreactor channel size are examined. This study is conducted by means of computational simulations, and the results are validated against prior experimental data, as well as by other similar studies in the literature. Utilizing simulation results with detailed chemistry, the present work provides more in-depth insight into a variety of phenomena, such as ignition, flame propagation, flames with repetitive extinctions and ignitions (FREI), and flame stabilization. In particular, the ignition, the flame span, and the FREI-related characteristics are scrutinized to understand the underlying physics of the flame stability/instability modes. It is shown that the flames appear stable at higher inlet velocities, while the FREI mode is detected at a lower inlet velocity, depending on the equivalence ratio and the channel size. The findings also explain how different operating conditions impact the flame characteristics in both stability modes. Full article

Direct numerical simulations of non-premixed fuel-rich methane–oxygen flames at 20 bar are conducted to investigate the turbulent mixing burning of gaseous propellants in rocket engines. The reacting flow is simulated by using an EBI-DNS solver within an OpenFOAM frame. The transport of species is resolved with finite-rate chemistry by using a complex skeletal mechanism that entails 21 species. Two different flames at low and high Reynolds numbers are considered to study the sensitivity of the flame dynamics to turbulence. Regime markers are used to measure the probability of the flow to burn in premixed and non-premixed conditions at different regions. The local heat release statistics are studied in order to understand the drivers in the development of the turbulent diffusion flame. Despite the eminent non-premixed configuration, a significant amount of combustion takes place in premixed conditions. Premixed combustion is viable in both lean and fuel-rich regions, relatively far from the stoichiometric line. It has been found that a growing turbulent kinetic energy is detrimental to combustion in fuel-rich premixed conditions. This is motivated by the disruption of the local premixed flame front, which promotes fuel transport into the diffusion flame. In addition, at downstream positions, higher turbulence enables the advection of methane into the lean core of the flame, enhancing the burning rates in these regions. Therefore, the primary effect of turbulence is to increase the fraction of propellants burnt in oxygen-rich and near-stoichiometric conditions. Consequently, the mixture fraction of the products shifts towards lean conditions, influencing combustion completion at downstream positions. Full article

This article describes the creation of a program that would be useful for calculating mathematical models in order to estimate the weight of aircraft components. Using several parameters, it can calculate other parameters of civil transport aircraft powered by batteries or fuel cells. The main goals of this research were to add the missing dimensions and parameters to the aircraft database, create a simple but effective program for creating mathematical models, and use this program to find technological barriers to battery or hydrogen fuel-cell-powered aircraft concepts. The article introduces the reader to the problem of calculating OEW (operating empty weight) using Breguet–Leduc equations. A calculation model was created for OEW calculation. The result of this work is the verification of a mathematical model for battery-powered electric aircraft of the CS-23 (European Aviation Safety Agency Certification Specification for Normal, Utility, Aerobatic, and Commuter Category Aeroplanes) category by comparing the program’s outputs with real aircraft. Subsequently, the results of mathematical models are shown in graphs that specify the space of possible concepts of aircraft powered by batteries or fuel cells, sorted by the number of passengers and the range of the aircraft, delimited by two or three criteria, respectively. Full article

Molecular sieve catalysts containing transition metals have been attracting attention for their potential applications in various fields, including environmental and industrial catalysis. A Cu-Ce-Zr/SAPO-34 series of molecular sieve catalysts were prepared by the impregnation method, and the effect of Zr introduction on the selective catalytic reduction of NO by Cu-Ce/SAPO-34 molecular sieve catalysts was explored. Through various characterization methods, the physical and chemical properties of the catalysts were analyzed, and the denitration mechanism of the molecular sieve catalyst was discussed. This study found that the total acid content of the acid sites on the catalyst surface decreased with the introduction of Zr, leading to a decrease in the denitration efficiency of the catalyst. At 350–400 °C, the denitration efficiency of the 4Cu-4Ce-4Zr/SAPO-34 catalyst was over 80%, and at 400–500 °C, it was over 99%. Moreover, excessive metal Zr could destroy its CHA structure and decrease the denitration efficiency of the catalyst. This study analyzed the reaction mechanism of NH₃-SCR of Zr-modified polymetallic zeolites and the effect of Zr modification on the NH3-SCR reaction results. This study contributes to the understanding of the performance of molecular sieve catalysts containing transition metals. Reliable conclusions were obtained, which offer data support for future research in the field of NH₃-SCR. Full article

In recent years, boundary layer flame flashback (BLF) has re-emerged as a technological and operational issue due to the more widespread use of alternative fuels as a part of a global effort to promote carbon neutrality. While much understanding has been achieved in experiments and simulations of BLF in the past decades, the theoretical modeling of BLF still largely relies on the progress made as early as the 1940s, when the critical gradient model (CGM) for the laminar flame flashback was proposed by Lewis and von Elbe. The CGM does not account for the modification of the upstream flow by the flame, which has been recently shown to play a role in BLF. The aim of the present work is to gain additional insight into the effects of thermal gas expansion and confinement on the flame-flow interaction in laminar BLF. Two-dimensional simulations of the confined laminar BLF in a channel are performed in this work. The parametric study focuses on the channel width, the thermal gas expansion coefficient, and the heat losses to the wall. This study evaluates the influence of these factors on the critical condition for the flame flashback. By varying the channel width, it is demonstrated that at the critical condition, the incoming flow in narrow channels is modified globally by the thermal gas expansion, while in wider channels, the flow modification by the flame tends to be more local. In narrow channels, a non-monotonic dependence of the critical-condition centerline velocity on the channel width has been identified. The variation of the heat loss to the wall confirms that the wall’s thermal conditions can significantly alter the flashback limit, with the flashback propensity being larger when the thermal resistance of the wall is high. To assess the general applicability of the CGM, the flame consumption speed and the flow velocity near the wall are quantified. The results confirm that the assumption of flame having no influence on the upstream flow, employed in the CGM, is not fulfilled under confinement for a realistic thermal gas expansion. This results in a general disagreement between the simulations and the CGM, which implies that the thermal expansion effects should be accounted for when considering the confined boundary layer flashback limits. It is shown that the critical velocity gradient increases with the gas expansion coefficient for the given channel width and wall thermal condition. Full article

Hydrogen is a promising future fuel to enable the transition of transportation sector toward carbon neutrality. The direct utilization of H₂ in internal combustion engines (ICEs) faces three major challenges: high NO_x emissions, severe pressure rise rates, and pre-ignition at mid to high loads. In this study, the potential of H₂ combustion in a truck-size engine operated in spark ignition (SI) and pre-chamber (PC) mode was investigated. To mitigate the high pressure rise rate with the SI configuration, the effects of three primary parameters on the engine combustion performance and NO_x emissions were evaluated, including the compression ratio (CR), the air–fuel ratio, and the spark timing. In the simulations, the severity of the pressure rise was evaluated based on the maximum pressure rise rate (MPRR). Lower compression ratios were assessed as a means to mitigate the auto-ignition while enabling a wider range of engine operation. The study showed that by lowering CR from 16.5:1 to 12.5:1, an indicated thermal efficiency of 47.5% can be achieved at 9.4 bar indicated mean effective pressure (IMEP) conditions. Aiming to restrain the auto-ignition while maintaining good efficiency, growth in λ was examined under different CRs. The simulated data suggested that higher CRs require a higher λ, and due to practical limitations of the boosting system, λ at 4.0 was set as the limit. At a fixed spark timing, using a CR of 13.5 combined with λ at 3.33 resulted in an indicated thermal efficiency of 48.6%. It was found that under such lean conditions, the exhaust losses were high. Thus, advancing the spark time was assessed as a possible solution. The results demonstrated the advantages of advancing the spark time where an indicated thermal efficiency exceeding 50% was achieved while maintaining a very low NO_x level. Finally, the optimized case in the SI mode was used to investigate the effect of using the PC. For the current design of the PC, the results indicated that even though the mixture is lean, the flame speed of H₂ is sufficiently high to burn the lean charge without using a PC. In addition, the PC design used in the current work induced a high MPRR inside the PC and MC, leading to an increased tendency to engine knock. The operation with PC also increased the heat transfer losses in the MC, leading to lower thermal efficiency compared to the SI mode. Consequently, the PC combustion mode needs further optimizations to be employed in hydrogen engine applications. Full article